The world around us contains a diverse range of materials whose behavior is determined by the underlying structure at different scales. While the properties of materials we interact with like density, pressure, or temperature are noticeable at a macroscopic scale, the key to understanding where they come from and how they are connected relies on understanding the dynamics of the systems composing them. At the smallest scales, this is a collection of interacting quantum particles. Characterizing these systems is notoriously difficult, especially when the interactions are strong. While a number of methods exist to attack the quantum many-body problem, this dissertation explores application and extensions of methods developed by the Computation Quantum Matter group using automated algebra techniques, a computational hybrid of analytic and numerical approaches. After introducing the main relevant contexts (ultracold atoms and neutron matter) and models (Fermi gasses and the Hubbard model), the bulk of this dissertation details my work on a number of automated algebra projects characterizing quantum matter using the virial expansion, culminating with a virial expansion of the harmonically trapped Hubbard model. My analysis provides a solution to the problem of thermometry in ultracold atoms in optical lattices with arbitrary dimension, N-body interactions, and species related by an SU(N) symmetry.
The world around us contains a diverse range of materials whose behavior is determined by the underlying structure at different scales. While the properties of materials we interact with like density, pressure, or temperature are noticeable at a macroscopic scale, the key to understanding where they come from and how they are connected relies on understanding the dynamics of the systems composing them. At the smallest scales, this is a collection of interacting quantum particles. Characterizing these systems is notoriously difficult, especially when the interactions are strong. While a number of methods exist to attack the quantum many-body problem, this dissertation explores application and extensions of methods developed by the Computation Quantum Matter group using automated algebra techniques, a computational hybrid of analytic and numerical approaches. After introducing the main relevant contexts (ultracold atoms and neutron matter) and models (Fermi gasses and the Hubbard model), the bulk of this dissertation details my work on a number of automated algebra projects characterizing quantum matter using the virial expansion, culminating with a virial expansion of the harmonically trapped Hubbard model. My analysis provides a solution to the problem of thermometry in ultracold atoms in optical lattices with arbitrary dimension, N-body interactions, and species related by an SU(N) symmetry.
The virial expansion provides a non-perturbative view into the thermodynamics of quantum many-body systems in dilute regimes. While powerful, the expansion is challenging as calculating its coefficients at each order n requires analyzing (if not solving) the quantum n-body problem. In this work, we present a comprehensive review of automated algebra methods, which we developed to calculate high-order virial coefficients. The methods are computational but non-stochastic, thus avoiding statistical effects; they are also for the most part analytic, not numerical, and amenable to massively parallel computer architectures. We show formalism and results for coefficients characterizing the thermodynamics (pressure, density, energy, static susceptibilities) of homogeneous and harmonically trapped systems and explain how to generalize them to other observables such as the momentum distribution, Tan contact, and the structure factor.
The virial expansion provides a non-perturbative view into the thermodynamics of quantum many-body systems in dilute regimes. While powerful, the expansion is challenging as calculating its coefficients at each order n requires analyzing (if not solving) the quantum n-body problem. In this work, we present a comprehensive review of automated algebra methods, which we developed to calculate high-order virial coefficients. The methods are computational but non-stochastic, thus avoiding statistical effects; they are also for the most part analytic, not numerical, and amenable to massively parallel computer architectures. We show formalism and results for coefficients characterizing the thermodynamics (pressure, density, energy, static susceptibilities) of homogeneous and harmonically trapped systems and explain how to generalize them to other observables such as the momentum distribution, Tan contact, and the structure factor.
This dissertation serves as a summary of my Ph.D. work numerically studying equilibrium and non-equilibrium properties of strongly-interacting one-dimensional (1D) boson systems. This work is motivated by the fact that 1D systems are realizable and highly controllable with ultracold atoms in optical lattice and atom chip experiments. We apply a recent worm algorithmic Monte Carlo approach developed for 1D continuous systems to study their equilibrium properties, both with and without an underlying lattice. We also apply an exact lattice approach based on the Bose-Fermi mapping to check our Monte Carlo results in the Tonks-Girardeau limit, and more importantly, to study far-from-equilibrium expansion dynamics of the systems.
We first study the scaling of one-particle correlations of the harmonically trapped Lieb-Liniger gas with changing temperature and interaction strength. Based on the universal behaviors of the density and momentum profiles, we are able to determine the effective parameters needed to fully characterize the system. We also find that the Tonks-Girardeau limit at low temperatures is the ideal regime for the experimental observation of the 1/k4 momentum tail.
An extra periodic lattice can drive the transition from superfluid to Mott insulator states. Exact and complete phase diagrams for such transitions are available only in the weak interacting and deep lattice limit, in which the system can be described using one-band Bose-Hubbard model. Beyond this limit, we use the worm algorithm in continuous space to map out the phase diagrams at various interaction strengths. We compare our phase diagrams with one-band Bose-Hubbard predictions and identify the regime where the one-band description breaks down. We introduce an inverse confined scattering solution to obtain effective Hubbard parameters, with which the Bose-Hubbard model provides correct results for strong interactions and deep lattices at unit filling.
In addition to the equilibrium properties, we also study the expansion dynamics of ultracold atoms in the hard-core limit. Experimentally, this is usually achieved by turning off confining potentials and letting atoms expand in optical lattices. Theoretical studies from initial ground states predicted the occurrence of fermionization of the momentum distribution after long expansion times. In addition, quasicondensation at finite momenta emerges when expanding from Mott insulating domains. Here, we develop a finite-temperature extension of the lattice approach for dynamics. We find the dynamical ferminoization of the momentum distributions at all temperatures. For expansion from initial Mott domains, we observe enhanced correlations reminiscent of dynamical quasicondensation. Surprisingly, we find the systems appear to cool down during the melting of the Mott domains. We use an emergent local Hamiltonian to understand these emergent phenomena.
In this dissertation, I theoretically investigate the equilibrium properties of three strongly correlated multi-level quantum platforms -- synthetic dimension using ultracold Rydberg atoms, multi-flavor Fermi-Hubbard simulators with ultracold atoms, and magnon-spin coupled rare-earth orthoferrites -- using various numerical and analytical methods. After the broad research motivation in the first chapter, Chapter 2 introduces the general principles of quantum simulation using synthetic dimension platforms. Chapter 3 discusses the first realization with Rydberg atom platform to simulate the topological Su-Schrieffer-Heeger (SSH) model, and how environmental noise affects it. Chapter 4 shows the mean-field phase diagram of dipole-coupled ultracold Rydberg atom arrays exhibiting quantum strings and other ordered states. The connection of the thermal phase transition to that of a classical extended Potts model is also discussed from a renormalization (RG) and generalized duality perspective. These examples illustrate the versatility of synthetic dimension in simulating and engineering quantum phenomena. Chapters 5-6 explore the properties of multi-flavor Fermi-Hubbard models on square optical lattices using numerical linked-cluster expansions (NLCE). First, I show universal thermodynamics of SU(N) Fermi-Hubbard models above superexchange temperatures. Then, I discuss the agreement between numerical simulated equations of state and correlation functions to optical lattice experiments using 173Yb [SU(N)-symmetric interactions] and three spin-flavors of 6Li [spin-dependent interactions] at intermediate temperatures. Thermometry performed with this method agrees well with the model-independent thermometry. Lastly, I propose a method of computing observables at low temperatures in bipartite ordered states by adding a suitable boundary field to the NLCE. NLCE agreeing to quantum simulations at temperatures above the superexchange temperatures and a possibility to make accurate predictions at low temperatures for certain states make it a powerful algorithm to be used side-by-side with quantum simulations. Chapter 7 is based on the observation of magnonic superradiance in ErFeO3. The spin Hamiltonian reveals a simultaneous kink and mode-softening of two of the lower polaritons, strongly suggesting a superradiant phase transition. Its mapping to an extended Dicke model is also discussed. This is the first evidence towards a macroscopically squeezed spin state. Finally, I conclude with a broad discussion and an outlook in Chapter 8.
Advances in experiments on dilute ultracold atomic gases have given us access to highly tunable quantum systems. In particular, there have been substantial improvements in achieving different kinds of interaction between atoms. As a result, utracold atomic gases oer an ideal platform to simulate many-body phenomena in condensed matter physics, and engineer other novel phenomena that are a result of the exotic interactions produced between atoms. In this dissertation, I present a series of studies that explore the physics of dilute ultracold atomic gases in different settings. In each setting, I explore a different form of the inter-particle interaction. Motivated by experiments which induce artificial spin-orbit coupling for cold fermions, I explore this system in my first project. In this project, I propose a method to perform universal quantum computation using the excitations of interacting spin-orbit coupled fermions, in which effective p-wave interactions lead to the formation of a topological superfluid. Motivated by experiments which explore the physics of exotic interactions between atoms trapped inside optical cavities, I explore this system in a second project. I calculate the phase diagram of lattice bosons trapped in an optical cavity, where the cavity modes mediates effective global range checkerboard interactions between the atoms. I compare this phase diagram with one that was recently measured experimentally. In two other projects, I explore quantum simulation of condensed matter phenomena due to spin-dependent interactions between particles. I propose a method to produce tunable spin-dependent interactions between atoms, using an optical Feshbach resonance. In one project, I use these spin-dependent interactions in an ultracold Bose-Fermi system, and propose a method to produce the Kondo model. I propose an experiment to directly observe the Kondo effect in this system. In another project, I propose using lattice bosons with a large hyperfine spin, which have Feshbach-induced spin-dependent interactions, to produce a quantum dimer model. I propose an experiment to detect the ground state in this system. In a final project, I develop tools to simulate the dynamics of fermionic superfluids in which fermions interact via a short-range interaction.
The study of quantum dynamics is an increasingly important aspect of atomic, molecular and optical physics, as well as condensed-matter physics and other disciplines. It is essential in order to understand non-equilibrium phenomena which do not fit within the framework of equilibrium thermodynamics, such as many-body localization, dynamical quantum phase transitions, and non-equilibrium steady states in driven-dissipative systems. However, the exact calculation of dynamical observables is extremely difficult in general for several reasons, which makes it challenging for theoretical predictions and analyses to keep pace with rapidly advancing experiments. In this thesis I use and develop several computational methods to investigate the dynamics of quantum many-body systems, with the two goals of better understanding the evolution of local observables and correlation functions in spin and Fermion systems as well as creating and testing more effective numerical methods for solving quantum dynamics problems. I explore quantum dynamics by using Hamiltonian parameter quenches in several commonly-used models in AMO physics and elsewhere: the Fermi-Hubbard model, the XXZ model, and the transverse-Ising model. The first represents a system of short-range interacting Fermions, while the latter two represent spin systems with different spin-spin couplings and magnetic field terms. All of these models can be realized in current experiments. First, I derive an exact solution for an extreme interaction quench in the Fermi-Hubbard model, from a strongly-interacting initial state to a noninteracting final Hamiltonian. From this result I show that there are nontrivial transient connected correlations, despite the fact that the system has very high temperature and a noninteracting Hamiltonian. Those features would suppress such correlations in equilibrium, but the dynamical correlations are still significant. Then, I develop and examine two numerical methods for solving dynamics of the spin expectation values and correlation functions in the transverse-Ising and XXZ models. Both methods rely on approximating a thermodynamically large system with a much smaller and more computationally tractable cluster of lattice sites, or a series of clusters. The first method is a dynamical numerical linked cluster expansion (NLCE). NLCEs have already been used successfully on systems in thermodynamic equilibrium, and I extended the technique to directly compute the dynamics of an observable after a quantum quench. I review the general NLCE method, describe my dynamical variant of it, and compute the quench dynamics of spin and correlation observables in the transverse-Ising and XXZ models. The second method, which I term the adaptive-boundary cluster method, relies on recently refined bounds on information propagation in quantum systems to choose a cluster of lattice sites that minimizes the finite size error bound of a dynamical computation. I briefly review these bounds, and describe a new algorithm which uses them to construct a cluster whose boundary is chosen according to a related error estimate. Such an adaptive-boundary cluster has the property that there exists a computable upper bound on the finite size error of observables measured at the cluster center, and this error bound is nearly minimal when compared to that of other clusters of the same size. I then compute the quench dynamics of spin and correlation observables in the transverse-Ising model using the adaptive boundary clusters. I apply this method to both uniform and strongly disordered systems. To evaluate the effectiveness of both dynamical NLCE and adaptive-boundary clusters, I compare the results obtained using them to results from a standard and general purpose numerical method: exact solvers applied a rectangular cluster with periodic boundary conditions. Both of the new methods usually converge faster and are more accurate than the standard method for comparable cluster sizes. This thesis illustrates that choosing numerical methods which take advantage of the geometric and entanglement structure of the initial state and Hamiltonian can substantially enhance our ability to study quantum dynamics, by reducing the computational cost of numerically exact solutions. I conclude with a discussion of various avenues for future research to build on this work.